N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-thiophene-2-carboxamide Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(S4)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N5O3S2/c1-9-6-10(2)16-13(7-9)28-18(20-16)22-14(8-11(3)21-22)19-17(24)12-4-5-15(27-12)23(25)26/h4-8H,1-3H3,(H,19,24)